2-amino-1-(5-chloro-2-morpholin-4-ylphenyl)ethanone

C12H15ClN2O2 — CID 117390088

IUPAC2-amino-1-(5-chloro-2-morpholin-4-ylphenyl)ethanone
SMILESNCC(=O)c1cc(Cl)ccc1N1CCOCC1
InChIInChI=1S/C12H15ClN2O2/c13-9-1-2-11(10(7-9)12(16)8-14)15-3-5-17-6-4-15/h1-2,7H,3-6,8,14H2
InChIKeyVSAXRSSUFJSNFM-UHFFFAOYSA-N
MW254.72 g/mol
LogP1.32
Rot. Bonds3

About 2-amino-1-(5-chloro-2-morpholin-4-ylphenyl)ethanone

2-amino-1-(5-chloro-2-morpholin-4-ylphenyl)ethanone (PubChem CID 117390088) has the molecular formula C12H15ClN2O2 and a molecular weight of 254.72 g/mol. Its IUPAC name is 2-amino-1-(5-chloro-2-morpholin-4-ylphenyl)ethanone.

Molecular Properties

Compound Name2-amino-1-(5-chloro-2-morpholin-4-ylphenyl)ethanone
PubChem CID117390088
Molecular FormulaC12H15ClN2O2
Molecular Weight254.72 g/mol
Exact Mass254.08
IUPAC Name2-amino-1-(5-chloro-2-morpholin-4-ylphenyl)ethanone
SMILESNCC(=O)c1cc(Cl)ccc1N1CCOCC1
InChIInChI=1S/C12H15ClN2O2/c13-9-1-2-11(10(7-9)12(16)8-14)15-3-5-17-6-4-15/h1-2,7H,3-6,8,14H2
InChIKeyVSAXRSSUFJSNFM-UHFFFAOYSA-N
XLogP1.32
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.72
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(5-chloro-2-morpholin-4-ylphenyl)ethanone?
The IUPAC name of 2-amino-1-(5-chloro-2-morpholin-4-ylphenyl)ethanone (CID 117390088) is 2-amino-1-(5-chloro-2-morpholin-4-ylphenyl)ethanone.
What is the SMILES notation for 2-amino-1-(5-chloro-2-morpholin-4-ylphenyl)ethanone?
The canonical SMILES for 2-amino-1-(5-chloro-2-morpholin-4-ylphenyl)ethanone is NCC(=O)c1cc(Cl)ccc1N1CCOCC1.
What is the InChIKey of 2-amino-1-(5-chloro-2-morpholin-4-ylphenyl)ethanone?
The InChIKey is VSAXRSSUFJSNFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O2/c13-9-1-2-11(10(7-9)12(16)8-14)15-3-5-17-6-4-15/h1-2,7H,3-6,8,14H2.
What are the key properties of 2-amino-1-(5-chloro-2-morpholin-4-ylphenyl)ethanone?
2-amino-1-(5-chloro-2-morpholin-4-ylphenyl)ethanone has a molecular weight of 254.72 g/mol, XLogP of 1.32, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(5-chloro-2-morpholin-4-ylphenyl)ethanone is sourced from PubChem (CID 117390088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).